Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005
Computed model cutoff of 6.452699994593892 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.49042534939945, total energy = -17.71934321516642

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4904253358952717, total energy = -17.719343215166393

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4904253348708156, total energy = -17.719343215166425

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4904253482818604, total energy = -17.719343215166443

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.490425348281862, total energy = -17.71934321516643

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.4904253115877517, total energy = -17.71934321516637

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.490425351564773, total energy = -17.719343215166386

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.4904253117740156, total energy = -17.719343215166393

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.4904253482818604, total energy = -17.719343215166443

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.49042533878237, total energy = -17.71934321516648

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4904253536835306, total energy = -17.719343215166397

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4904253537300964, total energy = -17.719343215166408

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.490425348281859, total energy = -17.719343215166436

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4904253681597766, total energy = -17.719343215166447

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.490425327420234, total energy = -17.71934321516634

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4904253251617767, total energy = -17.7193432151664

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4904253492131825, total energy = -17.719343215166365

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4904253020038567, total energy = -17.71934321516632

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4904253482818604, total energy = -17.71934321516642

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.490425363829123, total energy = -17.719343215166372

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4904253482818595, total energy = -17.719343215166433

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.490425314562164, total energy = -17.71934321516636

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.490425340086219, total energy = -17.719343215166358

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4904253623797543, total energy = -17.719343215166415

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.490425326040715, total energy = -17.719343215166383

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4904253947664943, total energy = -17.71934321516631

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4904253482818604, total energy = -17.719343215166383

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.490425334677269, total energy = -17.719343215166358

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4904253387823685, total energy = -17.719343215166443

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4904253085143884, total energy = -17.71934321516635

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.490425372123714, total energy = -17.719343215166386

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 2.4904253572094603, total energy = -17.719343215166393

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.490425333380693, total energy = -17.719343215166443

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.4904253687767754, total energy = -17.71934321516634

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4904253572225485, total energy = -17.719343215166386

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.4904253226472015, total energy = -17.7193432151664

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.490425313299056, total energy = -17.719343215166347

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.6937500000000005, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.719343
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.4904253153130345, total energy = -17.719343215166283

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 3.253478038674526 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.4917235471724553, c = 4.061955366589759, total energy = -17.719393660495488

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 3.4568204160916842 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.491723559345572, c = 4.061955347069284, total energy = -17.7193936604955

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 3.6601627935088423 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 2.4917235387527596, c = 4.061955360122221, total energy = -17.71939366049552

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 3.8635051709260004 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.4917235543071445, c = 4.061955326198534, total energy = -17.719393660495534

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 4.0668475483431585 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.4917235491793974, c = 4.061955328413169, total energy = -17.71939366049553

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 4.270189925760317 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.4917235521221315, c = 4.06195536083686, total energy = -17.719393660495548

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 4.473532303177475 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.4917235314621355, c = 4.061955470578422, total energy = -17.7193936604955

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 4.676874680594633 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.4917235689326716, c = 4.061955322099644, total energy = -17.719393660495495

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 4.880217058011791 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.4917235366364823, c = 4.061955280724719, total energy = -17.719393660495527

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042534] Angstroms and c = 5.083559435428949 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.719394
         Iterations: 73
         Function evaluations: 162
Results for this minimization:
  a = 2.4917235242591236, c = 4.061955475481093, total energy = -17.719393660495495

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 2.4917235521221315 Angstroms, c = 4.06195536083686 Angstroms, c/a = 1.630179

 Total energy: -17.719393660495548 eV

 Cohesive energy: -4.429848415123887 eV/atom

==============================================================================
==============================================================================